N-(butan-2-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(butan-2-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1185 |
| Compound Name: | N-(butan-2-yl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C21 H26 F N5 O2 S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C)nn(CC)c2C(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.43 |
| logD: | 2.43 |
| logSw: | -2.6898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.623 |
| InChI Key: | BPMRGJWKPAEWKN-ZDUSSCGKSA-N |